CID 37134678

[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methanol hydrochloride

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CN=CC=C1C2=NOC(=N2)CO
InChI
InChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h1-4,12H,5H2
InChIKey
ZINMZWYBMIZQEP-UHFFFAOYSA-N
Compound name
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

177.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.6
[M+Na]+ 200.04305 143.4
[M-H]- 176.04655 136.2
[M+NH4]+ 195.08765 149.3
[M+K]+ 216.01699 141.7
[M+H-H2O]+ 160.05109 125.3
[M+HCOO]- 222.05203 154.8
[M+CH3COO]- 236.06768 147.0
[M+Na-2H]- 198.02850 141.6
[M]+ 177.05328 134.8
[M]- 177.05438 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe